1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone

C16H15FO3 — CID 62866029

IUPAC1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone
SMILESCOc1cc(F)c(C(=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C16H15FO3/c1-19-15-9-12(13(17)10-16(15)20-2)14(18)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyOCBZEAZVKQEHMF-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.27
Rot. Bonds5

About 1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone

1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone (PubChem CID 62866029) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone
PubChem CID62866029
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone
SMILESCOc1cc(F)c(C(=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C16H15FO3/c1-19-15-9-12(13(17)10-16(15)20-2)14(18)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyOCBZEAZVKQEHMF-UHFFFAOYSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
CID 15228893
1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 43162219
1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone
CID 83988374
4-(2-fluoro-4,5-dimethoxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298266
1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone
CID 83987969
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
3-chloro-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-one
CID 104645825
1-(2-amino-4,5-difluorophenyl)-2-phenylethanone
CID 132915843
1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone
CID 68974432
2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
CID 158147821
1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone
CID 83988494
5-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 62935002

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone?
The IUPAC name of 1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone (CID 62866029) is 1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone.
What is the SMILES notation for 1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone?
The canonical SMILES for 1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone is COc1cc(F)c(C(=O)Cc2ccccc2)cc1OC.
What is the InChIKey of 1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone?
The InChIKey is OCBZEAZVKQEHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-19-15-9-12(13(17)10-16(15)20-2)14(18)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone?
1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone has a molecular weight of 274.29 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone is sourced from PubChem (CID 62866029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).